methyl {3-methoxy-1-[(2RS)-2-(5-{4-[4-(2-{(2RS)-1-[N-(methoxycarbonyl)-O,2-dimethylseryl]pyrrolidin-2-yl}-1H-imidazol-5-yl)buta-1,3-diyn-1-yl]phenyl}-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-methyl-1-oxopr opan-2-yl}carbamate--hydrogen chloride (1/2)
Chemical Structure Depiction of
methyl {3-methoxy-1-[(2RS)-2-(5-{4-[4-(2-{(2RS)-1-[N-(methoxycarbonyl)-O,2-dimethylseryl]pyrrolidin-2-yl}-1H-imidazol-5-yl)buta-1,3-diyn-1-yl]phenyl}-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-methyl-1-oxopr opan-2-yl}carbamate--hydrogen chloride (1/2)
methyl {3-methoxy-1-[(2RS)-2-(5-{4-[4-(2-{(2RS)-1-[N-(methoxycarbonyl)-O,2-dimethylseryl]pyrrolidin-2-yl}-1H-imidazol-5-yl)buta-1,3-diyn-1-yl]phenyl}-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-methyl-1-oxopr opan-2-yl}carbamate--hydrogen chloride (1/2)
Compound characteristics
| Compound ID: | H027-4030C |
| Compound Name: | methyl {3-methoxy-1-[(2RS)-2-(5-{4-[4-(2-{(2RS)-1-[N-(methoxycarbonyl)-O,2-dimethylseryl]pyrrolidin-2-yl}-1H-imidazol-5-yl)buta-1,3-diyn-1-yl]phenyl}-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-methyl-1-oxopr opan-2-yl}carbamate--hydrogen chloride (1/2) |
| Molecular Weight: | 815.76 |
| Molecular Formula: | C38 H46 N8 O8 |
| Salt: | 2HCl |
| Smiles: | CC(COC)(C(N1CCC[C@H]1c1ncc(C#CC#Cc2ccc(cc2)c2cnc([C@@H]3CCCN3C(C(C)(COC)NC(=O)OC)=O)[nH]2)[nH]1)=O)NC(=O)OC |
| Stereo: | ABSOLUTE |
| logP: | 3.2092 |
| logD: | 3.1973 |
| logSw: | -3.1379 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 156.009 |
| InChI Key: | DJZQRXQJJCFCGD-NERRIWFNSA-N |